NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457656 |
2rr3   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2rr3
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.126
_Stereo_assign_list.Total_e_high_states 205.179
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 4 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 6 HIS QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 7 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 GLN QB 31 no 100.0 100.0 0.572 0.572 0.000 13 4 no 0.015 0 0
1 8 GLN QE 59 no 100.0 100.0 1.787 1.787 0.000 9 3 no 0.051 0 0
1 8 GLN QG 74 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.024 0 0
1 9 ILE QG 73 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.022 0 0
1 10 LEU QB 43 no 100.0 100.0 1.298 1.298 0.000 11 4 no 0.028 0 0
1 10 LEU QD 41 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.035 0 0
1 11 VAL QG 141 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.056 0 0
1 12 LEU QB 18 no 100.0 99.9 2.368 2.370 0.002 17 10 no 0.062 0 0
1 12 LEU QD 7 no 100.0 99.8 0.880 0.882 0.002 23 10 no 0.050 0 0
1 13 ASP QB 33 no 100.0 99.8 1.579 1.582 0.003 13 5 no 0.059 0 0
1 14 PRO QB 54 no 100.0 100.0 2.895 2.895 0.000 10 4 no 0.015 0 0
1 14 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 PRO QG 102 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 15 PRO QB 110 no 100.0 99.9 2.034 2.037 0.003 5 0 no 0.057 0 0
1 15 PRO QD 40 no 100.0 100.0 3.570 3.571 0.001 12 5 no 0.040 0 0
1 15 PRO QG 140 no 100.0 100.0 1.354 1.354 0.000 4 0 no 0.000 0 0
1 17 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 LEU QB 8 no 100.0 100.0 3.586 3.587 0.001 22 5 no 0.033 0 0
1 18 LEU QD 3 no 100.0 100.0 12.671 12.673 0.002 29 13 no 0.062 0 0
1 19 LYS QG 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 20 PHE QB 66 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 21 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 21 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.052 0 0
1 23 PRO QB 81 no 100.0 98.3 1.114 1.133 0.019 7 0 no 0.214 0 0
1 24 PHE QB 56 no 100.0 99.4 0.308 0.310 0.002 9 0 no 0.063 0 0
1 26 ASP QB 83 no 100.0 100.0 1.556 1.557 0.001 7 1 no 0.032 0 0
1 27 VAL QG 1 no 100.0 100.0 26.448 26.449 0.001 31 9 no 0.032 0 0
1 28 VAL QG 15 no 95.0 0.0 0.000 0.002 0.002 18 4 no 0.049 0 0
1 31 ASN QB 36 no 95.0 99.7 0.238 0.239 0.001 12 2 no 0.052 0 0
1 31 ASN QD 51 no 100.0 99.9 0.663 0.663 0.001 10 2 no 0.067 0 0
1 32 LEU QB 30 no 100.0 100.0 3.421 3.421 0.000 13 4 no 0.000 0 0
1 32 LEU QD 16 no 100.0 100.0 1.787 1.787 0.000 18 8 no 0.022 0 0
1 33 LYS QB 39 no 100.0 99.9 1.219 1.219 0.001 12 4 no 0.046 0 0
1 33 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 LEU QB 29 no 100.0 100.0 4.395 4.395 0.000 13 2 no 0.014 0 0
1 34 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.022 0 0
1 35 ARG QB 135 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 35 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
1 36 ASN QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ASN QD 5 no 100.0 99.9 3.036 3.038 0.002 25 7 no 0.042 0 0
1 37 PRO QB 109 no 100.0 99.6 1.092 1.097 0.005 5 0 no 0.062 0 0
1 37 PRO QD 49 no 100.0 100.0 0.202 0.202 0.000 10 0 no 0.024 0 0
1 37 PRO QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.049 0 0
1 38 SER QB 20 no 100.0 100.0 2.030 2.031 0.000 16 4 no 0.027 0 0
1 39 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 ARG QB 50 no 100.0 100.0 0.686 0.686 0.000 10 2 no 0.030 0 0
1 40 ARG QD 143 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 42 VAL QG 4 no 100.0 99.9 1.668 1.669 0.001 27 5 no 0.042 0 0
1 43 CYS QB 26 no 100.0 100.0 0.469 0.469 0.000 14 1 no 0.013 0 0
1 44 PHE QB 72 no 100.0 100.0 1.476 1.476 0.000 8 2 no 0.018 0 0
1 45 LYS QB 55 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.019 0 0
1 45 LYS QE 145 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 46 VAL QG 13 no 100.0 100.0 15.357 15.357 0.001 19 2 no 0.040 0 0
1 51 PRO QD 19 no 100.0 99.7 3.169 3.177 0.008 16 4 no 0.301 0 0
1 52 ARG QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 52 ARG QG 71 no 100.0 100.0 4.528 4.530 0.002 8 2 no 0.068 0 0
1 53 ARG QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 53 ARG QD 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 53 ARG QG 80 no 100.0 100.0 0.785 0.785 0.000 7 0 no 0.038 0 0
1 54 TYR QB 184 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 55 CYS QB 45 no 10.0 96.9 0.029 0.030 0.001 11 7 no 0.063 0 0
1 56 VAL QG 11 no 100.0 100.0 4.216 4.216 0.000 20 7 no 0.016 0 0
1 57 ARG QB 57 no 100.0 99.9 3.994 4.000 0.006 9 2 no 0.096 0 0
1 57 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 58 PRO QB 111 no 100.0 99.4 0.422 0.425 0.003 5 1 no 0.059 0 0
1 58 PRO QD 101 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 58 PRO QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ASN QB 77 no 100.0 7.8 0.000 0.000 0.000 8 4 no 0.024 0 0
1 60 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.009 0 0
1 61 GLY QA 84 no 100.0 100.0 0.872 0.872 0.000 7 2 no 0.018 0 0
1 62 ILE QG 37 no 100.0 100.0 2.367 2.367 0.000 12 3 no 0.018 0 0
1 64 ASP QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 65 PRO QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 65 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 GLY QA 167 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.059 0 0
1 69 VAL QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 VAL QG 10 no 100.0 100.0 1.748 1.748 0.000 20 4 no 0.020 0 0
1 72 SER QB 100 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.004 0 0
1 73 VAL QG 25 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.012 0 0
1 74 MET QB 105 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.033 0 0
1 74 MET QG 48 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.011 0 0
1 75 LEU QD 6 no 100.0 0.0 0.000 0.000 0.000 24 4 no 0.012 0 0
1 76 GLN QE 99 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.009 0 0
1 77 PRO QD 70 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 77 PRO QG 69 no 100.0 100.0 1.880 1.881 0.001 8 2 no 0.034 0 0
1 78 PHE QB 94 no 100.0 99.9 0.386 0.387 0.001 6 0 no 0.034 0 0
1 79 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 TYR QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 ASP QB 76 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.062 0 0
1 82 PRO QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 PRO QD 22 no 100.0 99.9 1.116 1.118 0.002 15 1 no 0.064 0 0
1 82 PRO QG 79 no 100.0 100.0 0.772 0.772 0.000 7 0 no 0.010 0 0
1 83 ASN QB 82 no 100.0 100.0 1.139 1.139 0.000 7 1 no 0.000 0 0
1 83 ASN QD 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.062 0 0
1 84 GLU QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 85 LYS QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.014 0 0
1 86 SER QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 LYS QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 88 HIS QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 LYS QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 89 LYS QD 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 89 LYS QG 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 90 PHE QB 24 no 100.0 100.0 1.924 1.924 0.000 15 9 no 0.006 0 0
1 91 MET QB 108 no 100.0 100.0 1.185 1.185 0.000 5 0 no 0.003 0 0
1 91 MET QG 183 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 92 VAL QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 GLN QB 17 no 100.0 100.0 1.706 1.706 0.000 17 8 no 0.035 0 0
1 93 GLN QE 44 no 100.0 100.0 1.191 1.191 0.001 11 6 no 0.032 0 0
1 93 GLN QG 68 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.009 0 0
1 95 ILE QG 42 no 100.0 100.0 3.238 3.238 0.000 11 1 no 0.025 0 0
1 96 PHE QB 96 no 100.0 100.0 2.570 2.570 0.000 6 1 no 0.007 0 0
1 98 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 PRO QD 38 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.017 0 0
1 98 PRO QG 75 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.035 0 0
1 99 PRO QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 SER QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 ASP QB 65 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.050 0 0
1 104 MET QG 64 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.083 0 0
1 105 GLU QB 107 no 100.0 100.0 1.368 1.368 0.000 5 0 no 0.010 0 0
1 107 VAL QG 12 no 100.0 0.0 0.000 0.001 0.001 20 8 no 0.053 0 0
1 108 TRP QB 35 no 100.0 99.8 1.734 1.737 0.003 12 0 no 0.065 0 0
1 109 LYS QB 121 no 100.0 100.0 2.482 2.483 0.001 4 0 no 0.039 0 0
1 109 LYS QG 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 110 GLU QB 63 no 100.0 99.8 6.000 6.010 0.010 8 0 no 0.100 0 0
1 110 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 112 LYS QB 34 no 100.0 100.0 3.158 3.159 0.000 13 6 no 0.038 0 0
1 113 PRO QD 53 no 100.0 100.0 2.291 2.291 0.000 10 4 no 0.029 0 0
1 113 PRO QG 146 no 100.0 99.5 0.756 0.760 0.004 3 0 no 0.071 0 0
1 115 GLU QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 GLU QG 98 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 116 LEU QB 32 no 100.0 100.0 4.441 4.441 0.000 13 5 no 0.029 0 0
1 116 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.022 0 0
1 117 MET QB 67 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 117 MET QG 47 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.042 0 0
1 118 ASP QB 23 no 100.0 100.0 0.757 0.757 0.000 15 7 no 0.032 0 0
1 119 SER QB 97 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.012 0 0
1 120 LYS QB 106 no 100.0 100.0 1.652 1.652 0.000 5 0 no 0.000 0 0
1 120 LYS QD 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 120 LYS QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 121 LEU QB 27 no 100.0 100.0 1.909 1.909 0.000 14 6 no 0.011 0 0
1 121 LEU QD 2 no 100.0 100.0 25.503 25.503 0.000 31 14 no 0.046 0 0
1 122 ARG QD 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 123 CYS QB 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 124 VAL QG 9 no 100.0 100.0 6.223 6.225 0.003 20 0 no 0.049 0 0
1 125 PHE QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 MET QB 104 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.020 0 0
1 127 MET QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 PRO QD 52 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.068 0 0
1 129 ASN QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 LEU QD 62 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.009 0 0
2 9 LYS QG 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 12 MET QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 14 ASP QB 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
2 15 GLU QB 61 no 100.0 99.8 1.577 1.579 0.003 8 0 no 0.152 0 0
2 16 ASP QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
2 18 GLU QB 60 no 100.0 100.0 0.354 0.354 0.000 8 0 no 0.015 0 0
2 19 ASN QB 103 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 19 ASN QD 14 no 100.0 99.9 2.069 2.071 0.003 18 4 no 0.110 0 0
2 20 GLU QG 46 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.092 0 0
2 21 PHE QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 22 PHE QD 182 no 85.0 97.7 0.271 0.278 0.006 2 2 no 0.301 0 0
2 23 ASP QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 25 PRO QB 114 no 80.0 100.0 0.135 0.135 0.000 4 0 no 0.008 0 0
2 25 PRO QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
2 26 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.069 0 0
2 27 ILE QG 58 no 35.0 98.7 0.057 0.057 0.001 9 3 no 0.038 0 0
2 28 ILE QG 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
2 30 MET QG 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 31 PRO QD 78 no 100.0 99.9 1.322 1.322 0.001 7 0 no 0.046 0 0
2 31 PRO QG 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
2 32 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 34 LEU QD 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 38 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 41 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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save_
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